N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide

• ChemBase ID: 607316
• Molecular Formular: C20H30N6O
• Molecular Mass: 370.4918
• Monoisotopic Mass: 370.24810961
• SMILES: c1(nn(c(c1)C)CC)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• Canonical SMILES: CCn1nc(cc1C)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C20H30N6O/c1-3-25-15(2)11-19(23-25)20(27)21-13-16-12-18-14-24(9-10-26(18)22-16)17-7-5-4-6-8-17/h11-12,17H,3-10,13-14H2,1-2H3,(H,21,27)
• InChIKey: JSYWQKNVHNRSKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-1-ethyl-5-methylpyrazole-3-carboxamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.056537
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.0531464
• LogD (pH = 7.4): 1.655829
• Log P: 2.1405904
• Molar Refractivity: 128.922 cm^3
• Polarizability: 40.15221 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.27
• LOG S: -2.99
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5